3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione

C14H24N2O4 — CID 66916721

IUPAC3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione
SMILESCCCCC(N)CCCCC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C14H24N2O4/c1-2-3-6-10(15)7-4-5-8-12(17)11-9-13(18)16(20)14(11)19/h10-11,20H,2-9,15H2,1H3
InChIKeyCJEAEURJFQJEMR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds9

About 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione

3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione (PubChem CID 66916721) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione
PubChem CID66916721
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione
SMILESCCCCC(N)CCCCC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C14H24N2O4/c1-2-3-6-10(15)7-4-5-8-12(17)11-9-13(18)16(20)14(11)19/h10-11,20H,2-9,15H2,1H3
InChIKeyCJEAEURJFQJEMR-UHFFFAOYSA-N
XLogP1.40
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Lysyl succinimide
CID 129822223
3-(6-Aminohexanoyl)-1-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidin-1-ium-2,5-dione
CID 87330624
3-(6-Aminohexanoyl)-1-hydroxypyrrolidine-2,5-dione
CID 18186104
3-(6-Aminohexyl)-1-hydroxypyrrolidine-2,5-dione
CID 22995083
(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-1-methoxy-4-methylpyrrolidine-2,5-dione
CID 59681918
(3R,4S)-3-[(2S,3R)-2-amino-3-methylpentanoyl]-4-methylpyrrolidine-2,5-dione
CID 59681923
(3R,4S)-3-[(2S)-2-amino-4-methylpentanoyl]-4-methylpyrrolidine-2,5-dione
CID 59681957
(3R,4S)-3-(2-amino-3-ethylpentanoyl)-4-methylpyrrolidine-2,5-dione
CID 59681963
(3R,4S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-4-methylpyrrolidine-2,5-dione
CID 59681982
(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-1-ethoxy-4-methylpyrrolidine-2,5-dione
CID 59681985
(3R,4S)-3-[(2S)-2-aminohexanoyl]-4-methylpyrrolidine-2,5-dione
CID 59752820
(3R)-N-hydroxy-3-[(2R)-2-methylpyrrolidine-1-carbonyl]-2-oxoheptanamide
CID 59908478

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione (CID 66916721) is 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione is CCCCC(N)CCCCC(=O)C1CC(=O)N(O)C1=O.
What is the InChIKey of 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is CJEAEURJFQJEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-3-6-10(15)7-4-5-8-12(17)11-9-13(18)16(20)14(11)19/h10-11,20H,2-9,15H2,1H3.
What are the key properties of 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione?
3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 284.36 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 66916721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).